N-(1-adamantylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=NNC(=N4)C5=CC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=NNC(=N4)C5=CC=NC=C5

InChI

InChI=1S/C20H25N5OS/c26-17(11-27-19-23-18(24-25-19)16-1-3-21-4-2-16)22-12-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,13-15H,5-12H2,(H,22,26)(H,23,24,25)